SCHEMBL9045561

SCHEMBL9045561

O=S(=O)(Nc1ncnc(OCCO)c1-c1ccccc1Cl)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.59
EDNRB P24530 4/20 0.59
AR P10275 6/20 0.48
BCL2L1 Q07817 4/20 0.45
FFAR1 O14842 1/20 0.44
MCL1 Q07820 3/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9044594 0.88 EDNRA (0.78) EDNRAEDNRBARBCL2L1MCL1
SCHEMBL9045571 0.88 EDNRA (0.78) EDNRAEDNRBARBCL2L1MCL1
SCHEMBL9677279 0.86 AR (0.55) ARBCL2L1FFAR1MCL1POLB
SCHEMBL9044052 0.77 EDNRA (0.89) EDNRAEDNRB
SCHEMBL9045921 0.76 AR (0.64) EDNRAEDNRBARBCL2L1MCL1
SCHEMBL9044679 0.76 AR (0.64) EDNRAEDNRBARBCL2L1MCL1
SCHEMBL8655641 0.74 EDNRA (0.71) EDNRAEDNRB
SCHEMBL9044397 0.74 EDNRA (0.82) EDNRAEDNRB
SCHEMBL9046379 0.74 EDNRA (0.91) EDNRAEDNRB
SCHEMBL9044364 0.74 EDNRA (0.79) EDNRAEDNRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP claimed